N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide

C9H13F3N4O — CID 78957956

IUPACN-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCc1[nH]ncc1CNC(=O)CNCC(F)(F)F
InChIInChI=1S/C9H13F3N4O/c1-6-7(3-15-16-6)2-14-8(17)4-13-5-9(10,11)12/h3,13H,2,4-5H2,1H3,(H,14,17)(H,15,16)
InChIKeyRGYPNLFLWYAIIB-UHFFFAOYSA-N
MW250.22 g/mol
LogP0.49
Rot. Bonds5

About N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78957956) has the molecular formula C9H13F3N4O and a molecular weight of 250.22 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78957956
Molecular FormulaC9H13F3N4O
Molecular Weight250.22 g/mol
Exact Mass250.10
IUPAC NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCc1[nH]ncc1CNC(=O)CNCC(F)(F)F
InChIInChI=1S/C9H13F3N4O/c1-6-7(3-15-16-6)2-14-8(17)4-13-5-9(10,11)12/h3,13H,2,4-5H2,1H3,(H,14,17)(H,15,16)
InChIKeyRGYPNLFLWYAIIB-UHFFFAOYSA-N
XLogP0.49
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 78957956) is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide is Cc1[nH]ncc1CNC(=O)CNCC(F)(F)F.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is RGYPNLFLWYAIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O/c1-6-7(3-15-16-6)2-14-8(17)4-13-5-9(10,11)12/h3,13H,2,4-5H2,1H3,(H,14,17)(H,15,16).
What are the key properties of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 250.22 g/mol, XLogP of 0.49, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78957956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).